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26322-82-7 | Ethofumesate-2-hydroxy
CAS No: 26322-82-7 Catalog No: AG01FNZ5 MDL No:
Product Description
Catalog Number:
AG01FNZ5
Chemical Name:
Ethofumesate-2-hydroxy
CAS Number:
26322-82-7
IUPAC Name:
(2-hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate
InChI:
InChI=1S/C11H14O5S/c1-11(2)8-6-7(16-17(3,13)14)4-5-9(8)15-10(11)12/h4-6,10,12H,1-3H3
InChI Key:
KNHJTPLSWOEZHZ-UHFFFAOYSA-N
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.288g/mol
Monoisotopic Mass:
258.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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